A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities
Among the nine functionals benchmarked, the most accurateγare obtained by Tα-LC-BLYP, reducing about half the errors of LC-BLYP.
Among the nine functionals benchmarked, the most accurateγare obtained by Tα-LC-BLYP, reducing about half the errors of LC-BLYP.